2-(4-Biphenyl)-6-phenylbenzoxazole
Basic information
- CAS
17064-47-0- Standard SMILES
c1ccc(-c2ccc(-c3nc4ccc(-c5ccccc5)cc4o3)cc2)cc1- InChIKey
WISWLZYHZLVSMO-UHFFFAOYSA-N- Molecular formula
- C25H17NO
- Average molar mass
- 347.4 g/mol
- Monoisotopic mass
- 347.13101417
Names & identifiers
- Preferred name
- 2-(4-Biphenyl)-6-phenylbenzoxazole
- IUPAC
- 6-phenyl-2-(4-phenylphenyl)-1,3-benzoxazole
- English name
- 2-(4-Biphenylyl)-6-phenylbenzoxazole
- Molecular formula
- C25H17NO
- Molecular weight
- 347.41
Names & synonyms
2-(4-Biphenyl)-6-phenylbenzoxazoleBenzoxazole, 2-[1,1'-biphenyl]-4-yl-6-phenyl-EINECS 241-125-2DTXSID6066155Benzoxazole, 2-(1,1'-biphenyl)-4-yl-6-phenyl-RefChem:456819DTXCID50354562(4Biphenylyl)6phenyl1,3benzoxazoleBenzoxazole, 2(1,1'biphenyl)4yl6phenyl17064-47-02-(4-Biphenylyl)-6-phenylbenzoxazole2-([1,1'-Biphenyl]-4-yl)-6-phenylbenzo[d]oxazole
Show more names
Purumforscintillation2-(Biphenyl-4-yl)-6-phenylbenzoxazole2-(4-Biphenylyl)-6-phenylbenzoxazolePBBO2-(4-BIPHENYLYL)-6-PHENYLBENZOXAZOLE 9&2-[1,1’-biphenyl]-4-yl-6-phenyl-benzoxazol2-(4-Biphenylyl)-6-phenylbenzoxazole[14448]
6-phenyl-2-(4-phenylphenyl)-1,3-benzoxazolePBBO2-(4-Biphenylyl)-6-phenyl-1,3-benzoxazoleOprea1_507347SCHEMBL590701MFCD00005768AKOS0158896026-phenyl-2-(4-phenylphenyl)benzoxazole
Database identifiers
- CAS
17064-47-0- PubChem CID
- 86930
- DTXSID
DTXSID6066155- EC Number
- 241-125-2
- Nikkaji
- J236.228G
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 459
Experimental & physicochemical properties
Chemical ClassesDyes -> Other Dyes
Physical DescriptionWhite to light yellow crystals.
Physicochemical properties
- Melting point
- 198 · 198-199 °C(lit.)
- Boiling point
- 481.96 °C · 481.96°C (rough estimate)
- Density
- 1.151 · 1.1510 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- storage temp.
- 2 · 2-8°C
- form
- solid
- pka
- 1.13 · 1.13±0.30(Predicted)
- BRN
- 1222425 · 1222425
- Stability
- Stable. Incompatible with strong oxidizing agents.
- InChI
- 1S/C25H17NO/c1-3-7-18(8-4-1)20-11-13-21(14-12-20)25-26-23-16-15-22(17-24(23)27-25)19-9-5-2-6-10-19/h1-17H
- InChIKey
- WISWLZYHZLVSMO-UHFFFAOYSA-N
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Benzoxazole, 2-[1,1'-biphenyl]-4-yl-6-phenyl-
Hazards SummarySee Biphenyl. See 2-Methylbenzoxazole. See POPOP.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoxazole, 2-[1,1'-biphenyl]-4-yl-6-phenyl-: ACTIVE
Applications
Description2-(4-Biphenylyl)-6-phenylbenzoxazole is a highly versatile compound extensively employed in the biomedical sector. It demonstrates remarkable efficacy in suppressing the growth of diverse cancer cell strains, thereby exhibiting its profound promise as a potential pharmaceutical agent for cancer therapy. Furthermore, its notable antifungal characteristics enable it to effectively combat fungal infections. Consequently, this product exhibits tremendous prospects in drug discovery endeavors and therapeutic interventions targeting oncological disorders and infectious maladies alike.
UsesUtilized as a scintillator reagent.
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